SCHEMBL1698252

SCHEMBL1698252

CC(NC(=O)c1ccc(C(=O)O)cc1C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NPC1 O15118 1/20 0.56
POLB P06746 3/20 0.55
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
FLT4 P35916 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16127910 0.85 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL18740493 0.85 ROCK2 (0.56) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL18740492 0.85 ROCK2 (0.56) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL1285890 0.84 ALDH1A1 (0.73) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL743064 0.84 ALDH1A1 (0.73) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL1285869 0.84 ALDH1A1 (0.73) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL18767128 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL18767077 0.82 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL18767075 0.81 MAPT (0.57) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL13229107 0.80 ALDH1A1 (0.73) ALDH1A1LMNANPC1POLBROCK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011160189-A1 METHOD OF SCREENING FOR INHIBITORS OF sPLA2-IIA SCOTT KIERAN (AU) 2011-12-29 WO disclosed
WO-2011160189-A1 METHOD OF SCREENING FOR INHIBITORS OF sPLA2-IIA SCOTT KIERAN (AU) 2011-12-29 WO disclosed